Methyl β-D-xylopyranoside

C₆H₁₂O₅CAS 612-05-5164.16 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₆H₁₂O₅
Molar mass: 164.16 g/mol
Exact mass: 164.0685 Da
Density: 1.4 g/mL
Melting point: 157 °C
logP: -1.93Crippen estimate
Polar surface area: 79.2 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 1
Stereocentres: R, R, S, Rin SMILES atom order

Identifiers

CAS number

612-05-5

SMILES

CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O

InChIKey

ZBDGHWFPLXXWRD-JGWLITMVSA-N

InChI

InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names

β-D-Xylopyranoside, methyl
Xylopyranoside, methyl, β-D-
Methyl β-D-xyloside
NSC 170227
Methyl xyloside

Work with Methyl β-D-xylopyranoside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

D-Arabinopyranose28697-53-250 % similar α-D-Xylopyranose31178-70-850 % similar α-D-Xylopyranose6763-34-450 % similar β-L-Arabinopyranose7296-56-250 % similar L-Arabinopyranose87-72-950 % similar Isomaltitol534-73-647 % similar Isomalt64519-82-047 % similar Phenylmethyl β-L-arabinopyranoside7473-38-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Deoxy-D-glucose154-17-6 1,5-Anhydroglucitol154-58-5 Methyl β-L-arabinopyranoside1825-00-9 2-Deoxy-D-galactose1949-89-9 Fucose2438-80-4 (+)-Fucose3615-37-0 Rhamnose3615-41-6 Methyl β-D-arabinopyranoside5328-63-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook